Multivalent binding of nanocarrier to endothelial cells under shear flow.

ABSTRACT: We investigate the effects of particle size, shear flow, and resistance due to the glycocalyx on the multivalent binding of functionalized nanocarriers (NC) to endothelial cells (ECs). We address the much- debated issue of shear-enhanced binding by computing the binding free-energy landscapes of NC binding to the EC surface when the system is subjected to shear, using a model and simulation methodology based on the Metropolis Monte Carlo approach. The binding affinities calculated based on the free-energy profiles are found to be in excellent agreement with experimental measurements for different-sized NCs. The model suggests that increasing the size of NCs significantly increases the multivalency but only moderately enhances the binding affinities due to the entropy loss associated with b

SUBMITTER: Liu J 

PROVIDER: S-EPMC3136762 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature